bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane

C32H52Si — CID 23282034

IUPACbis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane
SMILESC[Si](C)(C1C=C2CCCCCCCCCCC2=C1)C1C=C2CCCCCCCCCCC2=C1
InChIInChI=1S/C32H52Si/c1-33(2,31-23-27-19-15-11-7-3-4-8-12-16-20-28(27)24-31)32-25-29-21-17-13-9-5-6-10-14-18-22-30(29)26-32/h23-26,31-32H,3-22H2,1-2H3
InChIKeyUAXMXMCYNXHIGM-UHFFFAOYSA-N
MW464.85 g/mol
LogP11.00
Rot. Bonds2

About bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane

bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane (PubChem CID 23282034) has the molecular formula C32H52Si and a molecular weight of 464.85 g/mol. Its IUPAC name is bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane
PubChem CID23282034
Molecular FormulaC32H52Si
Molecular Weight464.85 g/mol
Exact Mass464.38
IUPAC Namebis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane
SMILESC[Si](C)(C1C=C2CCCCCCCCCCC2=C1)C1C=C2CCCCCCCCCCC2=C1
InChIInChI=1S/C32H52Si/c1-33(2,31-23-27-19-15-11-7-3-4-8-12-16-20-28(27)24-31)32-25-29-21-17-13-9-5-6-10-14-18-22-30(29)26-32/h23-26,31-32H,3-22H2,1-2H3
InChIKeyUAXMXMCYNXHIGM-UHFFFAOYSA-N
XLogP11.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.85
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane?
The IUPAC name of bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane (CID 23282034) is bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane.
What is the SMILES notation for bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane?
The canonical SMILES for bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane is C[Si](C)(C1C=C2CCCCCCCCCCC2=C1)C1C=C2CCCCCCCCCCC2=C1.
What is the InChIKey of bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane?
The InChIKey is UAXMXMCYNXHIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52Si/c1-33(2,31-23-27-19-15-11-7-3-4-8-12-16-20-28(27)24-31)32-25-29-21-17-13-9-5-6-10-14-18-22-30(29)26-32/h23-26,31-32H,3-22H2,1-2H3.
What are the key properties of bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane?
bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane has a molecular weight of 464.85 g/mol, XLogP of 11.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclopenta[12]annulen-2-yl)-dimethylsilane is sourced from PubChem (CID 23282034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).